UCSF

ZINC13914149

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 32 No

Other Names:

MFCD02605559

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.90 11.28 -16.27 2 6 0 84 443.528 6
Ref Reference (pH 7) 5.90 11.7 -16.16 2 6 0 84 443.528 6
Mid Mid (pH 6-8) 5.41 11.21 -55.22 1 6 -1 82 442.52 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )